2-(2,5-dimethyl-1H-indol-3-yl)acetic acid
Basic information
- CAS
5435-40-5- Standard SMILES
Cc1ccc2[nH]c(C)c(CC(=O)O)c2c1- InChIKey
TYNHPLJFWKDNTJ-UHFFFAOYSA-N- Molecular formula
- C12H13NO2
- Average molar mass
- 203.24 g/mol
- Monoisotopic mass
- 203.09462866
Names & identifiers
- Preferred name
- 2-(2,5-dimethyl-1H-indol-3-yl)acetic acid
- IUPAC
- 2-(2,5-dimethyl-1H-indol-3-yl)acetic acid
- English name
- 2-(2,5-dimethyl-1H-indol-3-yl)acetic acid
- Molecular formula
- C12H13NO2
- Molecular weight
- 203.24
Names & synonyms
2-(2,5-dimethyl-1H-indol-3-yl)acetic acidRefChem:452071889-189-65435-40-5(2,5-dimethyl-1H-indol-3-yl)acetic acid(2,5-Dimethyl-1H-indol-3-yl)-acetic acidMFCD026644002-(2,5-dimethylindol-3-yl)acetic acidNSC21431Oprea1_605120MLS000067289SCHEMBL6102581
Show more names
2-(2,5-dimethyl-1H-indol-3-yl)ethanoic acid
CHEMBL1409643SCHEMBL30854920DTXSID00281372HMS1618I10HMS2485H22ALBB-007624BBL008168NSC-21431
Database identifiers
- CAS
5435-40-5- PubChem CID
- 228477
- DTXSID
DTXSID00281372- ChEMBL
CHEMBL1409643- EC Number
- 889-189-6
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 53.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 254
Physicochemical properties
- storage temp.
- 2 · 2-8°C
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H315-H319
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P
Chemistry & industry
Upstream & downstream products
Upstream raw materials
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Related reactions
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Compound notes
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